SCHEMBL3769428

SCHEMBL3769428

CC(C)(C)OC(=O)c1cccc(-c2ccccc2)c1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.48
HTR1A P08908 4/20 0.48
HTR6 P50406 2/20 0.48
HTR2A P28223 1/20 0.48
HTR5A P47898 1/20 0.48
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA1A P35348 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8219392 0.79 ADRB1 (0.49) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL30777649 0.79 ADRB1 (0.49) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL3764755 0.77 CKS1B (0.39) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL29215729 0.76 ACACB (0.35) HTR6ALDH1A1BRD4KDM4EMEN1
SCHEMBL9531321 0.76 BCAT2 (0.52) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL29389473 0.76 BCAT2 (0.52) SCN1ASCN2ASCN3AALDH1A1MEN1
Methylamine SCHEMBL28010440 0.73 BCAT2 (0.53) SCN1ASCN2ASCN3AALDH1A1MEN1
Bromomethane SCHEMBL7011845 0.73 SLC6A3 (0.50) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL8703380 0.73 MAPK14 (0.46) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL8362726 0.72 GRM6 (0.47) SCN1ASCN2ASCN3AALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA HTR7 2294/4885HTR1A 3013/4885HTR6 1704/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.